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ab initio calculation
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1
Book
Ab initio calculation of phonon spectra /
Devreese, Jozef T.
1983
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2
Book
Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory /
Niesert, Manfred
2012
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3
Book
Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates /
Al-Zubi, Ali
2010
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4
Book
Ab initio methods in quantum chemistry. 1.
Lawley, K. P.
1987
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5
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Ab initio methods in quantum chemistry. 2.
Lawley, K. P.
1987
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6
Book
Ab-initio modelling of electrochemistry: application to proton-exchange-membrane fuel cells /
Aryanpour, Masoud
2008
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7
Book
Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2012
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8
Book
Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2010
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9
Book
Ab initio molecular orbital calculations for chemists /
Richards, W. G.
1970
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10
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Ab initio molecular orbital theory.
Hehre, W. J.
1986
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11
Book
Ab initio valence calculations in chemistry /
Cook, David B.
1974
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12
Book
Annual review of physical chemistry. 45.
Strauss, Herbert L.
1994
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13
Book
A Bibliography of ab initio molecular wave functions /
Richards, W. G.
1971
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14
Book
Chemical reactions : basic theory and computing /
Laganà , Antonio
2019
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15
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Computational many-particle physics /
Fehske, Holger
2008
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16
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Computational materials science : from ab initio to Monte Carlo methods /
Ohno, K.
1999
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17
Book
Effect of spin-orbit scattering on transport properties of low-dimensional dilute alloys /
Heers, Swantje
2011
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18
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Electronic structure : basic theory and practical methods /
Martin, Richard M.
2008
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19
Book
Elektronische Struktur und optische Eigenschaften von binären und ternären Gruppe-III-Nitridverbindungshalbleitern : 17 Tabellen /
Rohr, Gernot Christopher.
1998
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20
Book
Festkörperprobleme. 37 : [plenary talks or invited papers at the spring meeting of the German Physical Society (Arbeitskreis Festkörperphysik) 1997 in Münster] /
Helbig, Reinhard
1998
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ZB
33
IFF
2
JSC
2
ER-C-3
1
IAS-9
1
IBG-1
1
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IEK-13
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Name
Hutter, Jürg
2
Lawley, K. P.
2
Leach, Andrew R.
2
Marx, Dominik
2
Ohno, K.
2
Richards, W. G.
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Al-Zubi, Ali
1
Aryanpour, Masoud
1
Baumeister, Paul Ferdinand
1
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1
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1
Chaplot, Samrath L.
1
Cook, David B.
1
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1
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1
Esfarjani, K.
1
Fehske, Holger
1
Hanke, Jan-Philipp
1
Heers, Swantje
1
Hehre, W. J.
1
Helbig, Reinhard
1
Hinkley, R. K.
1
Horsley, John Anthony.
1
Kawazoe, Yoshiyuki.
1
Klein, D. J.
1
Laganà , Antonio
1
Le Bris, C.
1
Lipkowitz, Kenny B.
1
Martin, Richard M.
1
Mathews, Nripan
1
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Subject
ab initio calculation
density functional theory
9
computer simulation
7
Monte Carlo method
6
quantum chemistry
6
electronic structure
4
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molecular dynamics calculation
4
computational chemistry
3
quantum mechanics
3
wave equation
3
Schroedinger equation
2
chemical reaction
2
conformational analysis
2
correlation
2
dynamics
2
electrochemistry
2
electronic properties
2
high performance computing
2
lattice dynamics
2
light emitting device ( LED )
2
many body problem
2
modeling
2
molecular modeling
2
molecular orbital
2
optical spectroscopy
2
perovskite
2
transition metal
2
Dirac equation
1
Hartree Fock method
1
II - VI semiconductor
1
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Classification
FANE - Computational solid state physics
8
CHN - Quantum chemistry
7
CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
5
FAN - Solid state physics - mathematical methods, computer applications
4
CAN - Chemistry - mathematical methods, computer applications
2
CHJ - Molecular physics, molecular structure
2
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FFP - Physics of thin films
2
LAN - Biology - mathematical methods, statistics
2
MSH - Mathematical methods in life sciences
2
PBA - Quantum theory
2
010 - Simulation Science (textbook)
1
011 - Simulation Science (advanced reading)
1
CELM - Reaction kinetics of organic compounds
1
CH - Physical chemistry
1
CHG - Physical chemistry - general aspects
1
CHNK - Quantum chemistry - special aspects
1
CLA - Reaction kinetics
1
CWKC - Chemical reaction engineering
1
CXXE - Thermal and photochemical hydrogen production
1
CXXL - Electrochemical hydrogen production
1
EIP - Photovoltaics
1
EIS - Solar cells
1
ETFP - Fuel cell construction and modeling
1
FAF - Materials research - comprehensive works
1
FCBH - Crystal structure of specific substances
1
FCG - Lattice dynamics
1
FDM - Thermophysical properties of solids
1
FFJB - Surface dynamics
1
FGM - Microelectronic technology
1
FJB - Electric materials
1
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Language
English
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